2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol

C14H22N4O — CID 105103448

IUPAC2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1C(O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H22N4O/c1-9(2)18-7-6-12(16-18)8-13(19)14-10(3)15-17(5)11(14)4/h6-7,9,13,19H,8H2,1-5H3
InChIKeyUKQBJKVZEJUICC-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.09
Rot. Bonds4

About 2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol

2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol (PubChem CID 105103448) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
PubChem CID105103448
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1C(O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H22N4O/c1-9(2)18-7-6-12(16-18)8-13(19)14-10(3)15-17(5)11(14)4/h6-7,9,13,19H,8H2,1-5H3
InChIKeyUKQBJKVZEJUICC-UHFFFAOYSA-N
XLogP2.09
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105154876
1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 114220139
2-(5-bromo-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105126285
2-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105076709
2-(4-iodophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105101093
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
1-(2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770812
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol
CID 105076282
2-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105088082
1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772056
(1R)-2-bromo-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 83001320
1-(3-methyl-2-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64771004

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol (CID 105103448) is 2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol is Cc1nn(C)c(C)c1C(O)Cc1ccn(C(C)C)n1.
What is the InChIKey of 2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The InChIKey is UKQBJKVZEJUICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9(2)18-7-6-12(16-18)8-13(19)14-10(3)15-17(5)11(14)4/h6-7,9,13,19H,8H2,1-5H3.
What are the key properties of 2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol has a molecular weight of 262.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 105103448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).